General Information of the Compound
| Compound ID |
CP0369175
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| Compound Name |
N-[2-[3-[1-(2-cyanoethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]acetamide
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| Structure |
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| Formula |
C20H25N7O
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| Molecular Weight |
379.468
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| Canonical SMILES |
CC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
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| InChI |
InChI=1S/C20H25N7O/c1-14(28)22-9-4-18-25-17-13-24-20-16(3-8-23-20)19(17)27(18)15-5-11-26(12-6-15)10-2-7-21/h3,8,13,15H,2,4-6,9-12H2,1H3,(H,22,28)(H,23,24)
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| InChIKey |
HSLAVUBHRFFYBB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound